PhD studentship:
The development and application of computational methods based on density
functional theory
at Department of Chemistry, University of Calgary,Alberta, Canada, Quantum
Chemistry Group

Field(s):

chemicalÝphysics, quantum chemistry, computational chemistry, molecular physics
Application deadline:Mar 30 (Tue), 2004

Submitted:

Nov 30, 2003
Contact:Tom Ziegler
E-mail:ZIEGLER_at_UCALGARY.CA
Phone:+1 403 220 5368

Address:Dr. Tom Ziegler Department of Chemistry University of Calgary Calgary,
 Alberta, Canada T2N 1N4
+1 403-220-5368
 http://www.cobalt.chem.ucalgary.ca/group/master.html

Job description:

The quantum chemistry group in Calgary, Alberta, Canada
has 4 Ph.D. studentships available.
The group is involved with the development
of density functional theory as a practical
tool for studies of molecular kinetics ,energetics
and spectroscpy with
special emphasis on transition metal complexes
and catalysis [Chem.Rev. 1991,91,651].
The position offers research experience in international
cutting edge research group .
(http://www.cobalt.chem.ucalgary.ca/group/master.html)

The group is well equiped with computational facilities.

A possible candidate would have a bachelor or master degree in physics or
chemistry with a GPA of above 3.25 or equivalent. The candidate should have an
interest in implementing computer codes based on density functional theory
and/or apply them to chemical problems. Candidates from all parts of the world
are welcome to apply

Possible projects would involve :

(Tom Ziegler "Tools of the Trade in Theoretical Studies
of Inorganic Reaction mechanisms. From Sticks and Balls to
HOMO's and LUMO's" 2002 Dalton Discussion 2002,262 )

(a) Development and implementation of new density functional methods.

(b) First principle molecular dynamics by the Car-Parrinello method.

(c) Solvation Simulation

(d) Time and frequency dependent response theory

(e) Polymerization Catalysis

(f) Bio-inspired Catalysis. and Metalloenzynes

(g) Heterogeneous Catalysis.

For further information about research,
financial support and application procedures see :
http://www.cobalt.chem.ucalgary.ca/group/research.html

Financial support available : http://www.cobalt.chem.ucalgary.ca/group/
Dr. Tom Ziegler
Canada Research Chair in
Theoretical Inorganic Chemistry
University of Calgary
University Drive 2500
Calgary,Alberta
Canada T2N 1N4
Internet: ziegler_at_ucalgary.ca
http://www.cobalt.chem.ucalgary.ca/group/master.html
FAX (403) 289-9488
TEL (403) 220-5368
Received on 2003-12-03 16:58:51